K788-8328 Screening compound: N~8~-benzyl-10-(3-chlorobenzyl)-N~8~-methyl-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide

K788-8328 Screening compound: N~8~-benzyl-10-(3-chlorobenzyl)-N~8~-methyl-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
K788-8328 Screening compound: N~8~-benzyl-10-(3-chlorobenzyl)-N~8~-methyl-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-8328
N~8~-benzyl-10-(3-chlorobenzyl)-N~8~-methyl-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K788-8328

Molecular Formula

C29H23ClN2O3S (C29 H23 ClN2 O3 S)

Compound Name

N~8~-benzyl-10-(3-chlorobenzyl)-N~8~-methyl-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

N-benzyl-9-[(3-chlorophenyl)methyl]-N-methyl-210-dioxo-2lambda4-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(15)3(8)461113-hexaene-6-carboxamide

SMILES

CN(Cc1ccccc1)C(c(cc1)cc(N(Cc2cccc(Cl)c2)C(c2c3cccc2)=O)c1S3=O)=O

InChI

InChI=1S/C29H25ClN2O3S/c1-31(18-20-8-3-2-4-9-20)28(33)22-14-15-27-25(17-22)32(19-21-10-7-11-23(30)16-21)29(34)24-12-5-6-13-26(24)36(27)35/h2-17H,18-19,36H2,1H3

InChI Key

AKVYVULWFUTZGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15107686

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.03

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.900

Distribution Coefficient, logD

4.900

Water Solubility, LogSw

-4.85

Polar Surface Area

46.935

Acid Dissociation Constant (pKa)

26.37

Base Dissociation Constant (pKb)

-4.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.30

K788-8328 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with K788-8328 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-8328?
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What is the minimum amount of K788-8328 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-8328
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-8328
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of K788-8328 available by request